4-methyl-5-[methyl(phenylmethoxycarbonyl)carbamoyl]-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-5-[methyl(phenylmethoxycarbonyl)carbamoyl]-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-[benzyloxycarbonyl(methyl)carbamoyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-5-[[methyl(phenylmethoxycarbonyl)amino]-oxomethyl]-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-[methyl(phenylmethoxycarbonyl)carbamoyl]-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-[carbobenzoxy(methyl)carbamoyl]-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(C)C(=O)OCC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N(C)C(=O)OCC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C25H33N3O6S/c1-4-5-6-7-8-12-15-26-24(32)27-21-19(23(30)31)17(2)20(35-21)22(29)28(3)25(33)34-16-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-16H2,1-3H3,(H,30,31)(H2,26,27,32)